Chem
J-GLOBAL ID:200907050856585333   Nikkaji number:J1.684.879D

(5S,6E)-5-Hydroxy-6-methyl-7-[2-(hydroxymethyl)-4-thiazolyl]-6-heptene-3-one

(5S,6E)-5-ヒドロキシ-6-メチル-7-[2-(ヒドロキシメチル)-4-チアゾリル]-6-ヘプテン-3-オン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C12H17NO3S
Molecular formula furigana: C12-H17-N-O3-S
Molecular weight: 255.330
InChI: InChI=1S/C12H17NO3S/c1-3-10(15)5-11(16)8(2)4-9-7-17-12(6-14)13-9/h4,7,11,14,16H,3,5-6H2,1-2H3/b8-4+/t11-/m0/s1
InChI key: RUMXPUNUEZJIFZ-VUQUXZKVSA-N
SMILES: CCC(=O)C[C@H](O)/C(=C/c1csc(CO)n1)/C
Systematic name  (3):
  • (5S,6E)-5-ヒドロキシ-6-メチル-7-[2-(ヒドロキシメチル)-4-チアゾリル]-6-ヘプテン-3-オン
  • (5S,6E)-5-ヒドロキシ-7-[2-(ヒドロキシメチル)-1,3-チアゾール-4-イル]-6-メチルヘプタ-6-エン-3-オン
  • (5S,6E)-5-hydroxy-7-[2-(hydroxymethyl)-1,3-thiazol-4-yl]-6-methylhept-6-en-3-one
Other name (1):
  • (5S,6E)-5-Hydroxy-6-methyl-7-[2-(hydroxymethyl)-4-thiazolyl]-6-heptene-3-one
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